1H-1,2,4-Triazole, 3-bromo-
TL;DR: 1H-1,2,4-Triazole, 3-bromo- (CAS 96965-79-6) is a chemical compound with molecular formula C2H2BrN3 and molecular weight 146.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1H-1,2,4-triazole
Also Known As: 3-Bromo-1H-1,2,4-triazole, 5-bromo-1H-1,2,4-triazole, 3-bromo-4H-1,2,4-triazole, 3-Bromo-1,2,4-triazole, bromotriazole
| Molecular Formula | C2H2BrN3 |
|---|---|
| Molecular Weight | 146.94 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.9432 |
| Heavy Atoms | 6 |
| Complexity | 48.0 |
Chemical Identifiers
| CAS Number | 96965-79-6 |
|---|---|
| SMILES | C1=NNC(=N1)Br |
| InChIKey | HHIZISRHAQPAMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,2,4-Triazole, 3-bromo- (CAS 96965-79-6), with molecular formula C2H2BrN3 and molecular weight 146.94 g/mol. IUPAC: 5-bromo-1H-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 3-bromo-
Property Insights of 1H-1,2,4-Triazole, 3-bromo-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 3-bromo-. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-1,2,4-Triazole, 3-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 3-bromo- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-1,2,4-Triazole, 3-bromo-?
The CAS number of 1H-1,2,4-Triazole, 3-bromo- is 96965-79-6.
What is the molecular formula of 1H-1,2,4-Triazole, 3-bromo-?
The molecular formula of 1H-1,2,4-Triazole, 3-bromo- is C2H2BrN3.
What is the molecular weight of 1H-1,2,4-Triazole, 3-bromo-?
The molecular weight of 1H-1,2,4-Triazole, 3-bromo- is 146.94 g/mol.
Where can I buy 1H-1,2,4-Triazole, 3-bromo-?
You can request a quote for 1H-1,2,4-Triazole, 3-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 3-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 3-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.